tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate

C18H30N2O2 — CID 107240279

IUPACtert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
SMILESCCCC(CCC)Nc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-6-10-14(11-7-2)19-15-12-8-9-13-16(15)20-17(21)22-18(3,4)5/h8-9,12-14,19H,6-7,10-11H2,1-5H3,(H,20,21)
InChIKeyGBIRYGJSJCQOFN-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.41
Rot. Bonds7

About tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate

tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate (PubChem CID 107240279) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
PubChem CID107240279
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
SMILESCCCC(CCC)Nc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-6-10-14(11-7-2)19-15-12-8-9-13-16(15)20-17(21)22-18(3,4)5/h8-9,12-14,19H,6-7,10-11H2,1-5H3,(H,20,21)
InChIKeyGBIRYGJSJCQOFN-UHFFFAOYSA-N
XLogP5.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(2-hydroxyphenyl)carbamate
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tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
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tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
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N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide
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tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
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tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
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ethyl 2-[4-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxoprop-1-enyl]phenyl]pentanoate
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tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate (CID 107240279) is tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate is CCCC(CCC)Nc1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate?
The InChIKey is GBIRYGJSJCQOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-10-14(11-7-2)19-15-12-8-9-13-16(15)20-17(21)22-18(3,4)5/h8-9,12-14,19H,6-7,10-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate?
tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate is sourced from PubChem (CID 107240279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).